SCHEMBL8780501

SCHEMBL8780501

CCCCc1cc(Cc2ccc(C#N)cc2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHODH Q02127 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TLR8 Q9NR97 4/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ACP1 P24666 1/20 0.39
NTRK1 P04629 1/20 0.39
HPGD P15428 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7850138 0.81 MAPT (0.46) MEN1KMT2ADHODHTSHRHSD17B10
SCHEMBL9119796 0.81 DHODH (0.53) DHODHTSHRKDM4ETLR7
SCHEMBL9179529 0.78 MEN1 (0.53) MEN1KMT2ADHODHTLR8TSHR
SCHEMBL8673292 0.77 KDM4E (0.55) MEN1KMT2ADHODHTLR8TSHR
SCHEMBL7834869 0.76 DHODH (0.59) DHODH
SCHEMBL8780460 0.76 CYP11B1 (0.40) MEN1KMT2AABCB1ABCG2TSHR
SCHEMBL7834873 0.75 DHODH (0.47) DHODHKDM4E
SCHEMBL8780462 0.75 TLR8 (0.41) ABCG2TLR8TSHRHSD17B10CYP19A1
SCHEMBL6487073 0.74 ADAM17 (0.45) MEN1KMT2ATLR8KDM4ESMN1; SMN2
SCHEMBL8671753 0.74 CYP1A2 (0.53) MEN1KMT2ADHODHTLR8TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498722-B1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-07-30 EP disclosed
US-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 US disclosed
EP-0498722-A1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed